ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-7-(4-methylphenyl)carbonyloxy-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-7-(4-methylphenyl)carbonyloxy-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-7-(4-methylbenzoyl)oxy-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-methyl-7-[(4-methylphenyl)-oxomethoxy]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-7-(4-methylbenzoyl)oxy-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-keto-8-methyl-7-p-toluoyloxy-chromene-2-carboxylic acid ethyl ester Formula: C28H21NO6S MolecularWeight: 499.53444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)OC(=O)C3=CC=C(C=C3)C)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)OC(=O)C3=CC=C(C=C3)C)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H21NO6S/c1-4-33-28(32)25-22(26-29-19-7-5-6-8-21(19)36-26)23(30)18-13-14-20(16(3)24(18)35-25)34-27(31)17-11-9-15(2)10-12-17/h5-14H,4H2,1-3H3